2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide

C14H18N4O — CID 11960919

IUPAC2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCCN1
InChIInChI=1S/C14H18N4O/c1-14(7-2-3-8-16-14)13-17-10-6-4-5-9(12(15)19)11(10)18-13/h4-6,16H,2-3,7-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyJOCGPVNERHRBMY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.65
Rot. Bonds2

About 2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide

2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11960919) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11960919
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCCN1
InChIInChI=1S/C14H18N4O/c1-14(7-2-3-8-16-14)13-17-10-6-4-5-9(12(15)19)11(10)18-13/h4-6,16H,2-3,7-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyJOCGPVNERHRBMY-UHFFFAOYSA-N
XLogP1.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Acalisib
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Pf-06305591
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2-(1-cyclopentylazepan-4-yl)-1H-1,3-benzodiazole-4-carboxamide
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Macrocyclic Quinoxaline-Pyrrolodihydropiperidinone
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2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide (CID 11960919) is 2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide is CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCCN1.
What is the InChIKey of 2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is JOCGPVNERHRBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(7-2-3-8-16-14)13-17-10-6-4-5-9(12(15)19)11(10)18-13/h4-6,16H,2-3,7-8H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide?
2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).